SCHEMBL4178491

SCHEMBL4178491

OCCCc1nc(-c2ccc(C(F)(F)F)cc2)co1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.47
S1PR3 Q99500 3/20 0.47
SIRT2 Q8IXJ6 1/20 0.43
HSD11B1 P28845 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TRPV3 Q8NET8 4/20 0.39
TRPV1 Q8NER1 2/20 0.39
CTSK P43235 1/20 0.38
KCNH2 Q12809 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4182143 0.91 S1PR1 (0.48) S1PR1S1PR3SIRT2HSD11B1TRPV3
SCHEMBL9440941 0.81 SIRT2 (0.56) S1PR1S1PR3SIRT2TLR8
SCHEMBL9440855 0.80 DAGLA (0.46) S1PR1S1PR3SIRT2HSD11B1
SCHEMBL16217977 0.79 S1PR1 (0.45) S1PR1S1PR3SIRT2HSD11B1TLR8
SCHEMBL13731964 0.78 S1PR1 (0.44) S1PR1S1PR3HSD11B1TRPV3
Hydrochloric Acid SCHEMBL16210756 0.78 S1PR1 (0.44) S1PR1S1PR3SIRT2HSD11B1TLR8
SCHEMBL4188103 0.77 S1PR1 (0.45) S1PR1S1PR3HSD11B1HDAC1HDAC2
SCHEMBL13731856 0.77 S1PR1 (0.45) S1PR1S1PR3SIRT2HSD11B1HDAC1
SCHEMBL13733080 0.75 HSD11B1 (0.42) S1PR1S1PR3SIRT2HSD11B1TLR8
SCHEMBL13731475 0.74 HSD11B1 (0.45) S1PR1S1PR3HSD11B1CTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
EP-1945620-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD S1PR1 1410/4885S1PR3 1308/4885SIRT2 376/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.